SCHEMBL8093294

SCHEMBL8093294

Clc1ccc(C#Cc2[c]cccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.50
GRM5 P41594 2/20 0.39
APP P05067 1/20 0.36
MAPT P10636 1/20 0.33
ADK P55263 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
CYP2A6 P11509 1/20 0.31
ACACB O00763 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1822569 0.84 APP (0.55) KCNH2GRM5APPMAPTCYP1A2
SCHEMBL5586491 0.81 APP (0.36) KCNH2GRM5APPMAPT
SCHEMBL5403604 0.77 ALDH1A1 (0.47) KCNH2GRM5APPMAPTCYP1A2
SCHEMBL5494749 0.77 APP (0.32) KCNH2APPMAPT
SCHEMBL8988350 0.77 TRPA1 (0.39) KCNH2APPMAPTTSHR
SCHEMBL6514875 0.75 RARB (0.47) GRM5TSHRACACB
SCHEMBL21858024 0.74 ASIC3 (0.40) GRM5CYP1A2CYP2A6ACACB
SCHEMBL5268395 0.74 CA2 (0.42) APPTSHR
SCHEMBL717633 0.74 APP (0.67) KCNH2GRM5APPMAPTADK
SCHEMBL20015814 0.73 LMNA (0.57) KCNH2GRM5APPMAPTADK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117203556-A High refractive index and high birefringence solid organic material 元平台技术有限公司 2023-12-08 CN disclosed
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed